[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C12H19N3O2 — CID 66325187

IUPAC[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCOc1cc(NCC2CCCC2CO)ncn1
InChIInChI=1S/C12H19N3O2/c1-17-12-5-11(14-8-15-12)13-6-9-3-2-4-10(9)7-16/h5,8-10,16H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyPNNNSLCLKRVHAD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds5

About [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 66325187) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID66325187
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCOc1cc(NCC2CCCC2CO)ncn1
InChIInChI=1S/C12H19N3O2/c1-17-12-5-11(14-8-15-12)13-6-9-3-2-4-10(9)7-16/h5,8-10,16H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyPNNNSLCLKRVHAD-UHFFFAOYSA-N
XLogP1.31
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 66325187) is [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is COc1cc(NCC2CCCC2CO)ncn1.
What is the InChIKey of [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is PNNNSLCLKRVHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-12-5-11(14-8-15-12)13-6-9-3-2-4-10(9)7-16/h5,8-10,16H,2-4,6-7H2,1H3,(H,13,14,15).
What are the key properties of [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 66325187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).